2-{[Dichloro(fluoro)methyl]sulfanyl}-1H-pyrrole
Basic information
- CAS
62665-31-0- Standard SMILES
FC(Cl)(Cl)Sc1ccc[nH]1- InChIKey
KBWQBISXUPVWQI-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2FNS
- Average molar mass
- 200.06 g/mol
- Monoisotopic mass
- 198.9425539
Names & identifiers
- Preferred name
- 2-{[Dichloro(fluoro)methyl]sulfanyl}-1H-pyrrole
- IUPAC
- 2-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole
Names & synonyms
62665-31-0SCHEMBL10384291DTXSID905007862-{[Dichloro(fluoro)methyl]sulfanyl}-1H-pyrrole
Database identifiers
- CAS
62665-31-0- PubChem CID
- 12508315
- DTXSID
DTXSID90500786
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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